N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide

C16H24N2O4S2 — CID 97414748

IUPACN-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)c(C)c1
InChIInChI=1S/C16H24N2O4S2/c1-4-15(19)18-13-5-6-14(12(2)9-13)24(20,21)17-10-16(22-3)7-8-23-11-16/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyICHAZLCFCWMQAP-INIZCTEOSA-N
MW372.51 g/mol
LogP2.14
Rot. Bonds7

About N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide

N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide (PubChem CID 97414748) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide
PubChem CID97414748
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC NameN-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)c(C)c1
InChIInChI=1S/C16H24N2O4S2/c1-4-15(19)18-13-5-6-14(12(2)9-13)24(20,21)17-10-16(22-3)7-8-23-11-16/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyICHAZLCFCWMQAP-INIZCTEOSA-N
XLogP2.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide with MolForge

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Related Compounds

methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate
CID 72717990
methyl 4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]benzoate
CID 97414750
4-tert-butyl-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584402
5-fluoro-2-methoxy-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584395
5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide
CID 97414702
N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
CID 97414772
N-[3-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887567
N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide
CID 71785159
1-(4-methoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804942
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
CID 90558454
N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 97104756
1-[(3-methoxythiolan-3-yl)methyl]-3-(2-methylphenyl)urea
CID 71804937

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide (CID 97414748) is N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)c(C)c1.
What is the InChIKey of N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide?
The InChIKey is ICHAZLCFCWMQAP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-4-15(19)18-13-5-6-14(12(2)9-13)24(20,21)17-10-16(22-3)7-8-23-11-16/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H,18,19)/t16-/m0/s1.
What are the key properties of N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide?
N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide has a molecular weight of 372.51 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 97414748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).