N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide

C18H27N3O4S — CID 154815823

IUPACN-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)c1
InChIInChI=1S/C18H27N3O4S/c1-12(2)18-10-21-9-15(7-16(21)11-25-18)20-26(23,24)17-6-4-5-14(8-17)19-13(3)22/h4-6,8,12,15-16,18,20H,7,9-11H2,1-3H3,(H,19,22)/t15-,16-,18+/m0/s1
InChIKeyUKZQCQWFHRPODN-XYJFISCASA-N
MW381.50 g/mol
LogP1.42
Rot. Bonds5

About N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide

N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide (PubChem CID 154815823) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide
PubChem CID154815823
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)c1
InChIInChI=1S/C18H27N3O4S/c1-12(2)18-10-21-9-15(7-16(21)11-25-18)20-26(23,24)17-6-4-5-14(8-17)19-13(3)22/h4-6,8,12,15-16,18,20H,7,9-11H2,1-3H3,(H,19,22)/t15-,16-,18+/m0/s1
InChIKeyUKZQCQWFHRPODN-XYJFISCASA-N
XLogP1.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,6-dichlorobenzenesulfonamide
CID 154822472
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
CID 154821710
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,4-difluorobenzenesulfonamide
CID 154820278
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[(3R,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-phenylmethanesulfonamide
CID 154819842
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 154821589
N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(trifluoromethyl)benzamide
CID 155500603
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-cyanobenzenesulfonamide
CID 155503424
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
1-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-[(3-fluorophenyl)methyl]urea
CID 155503831
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861
1-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-propan-2-ylurea
CID 155918402

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide (CID 154815823) is N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)c1.
What is the InChIKey of N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is UKZQCQWFHRPODN-XYJFISCASA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-12(2)18-10-21-9-15(7-16(21)11-25-18)20-26(23,24)17-6-4-5-14(8-17)19-13(3)22/h4-6,8,12,15-16,18,20H,7,9-11H2,1-3H3,(H,19,22)/t15-,16-,18+/m0/s1.
What are the key properties of N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide?
N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 154815823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).