[1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate

C19H23N3O5S — CID 174376730

IUPAC[1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1)OC(N)=O
InChIInChI=1S/C19H23N3O5S/c1-19(2,27-18(20)24)12-13-7-9-15(10-8-13)21-17(23)14-5-4-6-16(11-14)22-28(3,25)26/h4-11,22H,12H2,1-3H3,(H2,20,24)(H,21,23)
InChIKeyFNHPFTFCYQOSID-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.73
Rot. Bonds7

About [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate

[1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 174376730) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID174376730
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name[1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1)OC(N)=O
InChIInChI=1S/C19H23N3O5S/c1-19(2,27-18(20)24)12-13-7-9-15(10-8-13)21-17(23)14-5-4-6-16(11-14)22-28(3,25)26/h4-11,22H,12H2,1-3H3,(H2,20,24)(H,21,23)
InChIKeyFNHPFTFCYQOSID-UHFFFAOYSA-N
XLogP2.73
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
CID 55846947
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 55702907
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829726
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33370284
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate (CID 174376730) is [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1)OC(N)=O.
What is the InChIKey of [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is FNHPFTFCYQOSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-19(2,27-18(20)24)12-13-7-9-15(10-8-13)21-17(23)14-5-4-6-16(11-14)22-28(3,25)26/h4-11,22H,12H2,1-3H3,(H2,20,24)(H,21,23).
What are the key properties of [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate?
[1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 405.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 174376730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).