N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide

C14H22N2O4S — CID 61038554

IUPACN-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16(9-4-10-17)14(18)12-5-7-13(8-6-12)15-21(3,19)20/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyMOCHSLDEHQFVPM-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.29
Rot. Bonds7

About N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide

N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide (PubChem CID 61038554) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
PubChem CID61038554
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16(9-4-10-17)14(18)12-5-7-13(8-6-12)15-21(3,19)20/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyMOCHSLDEHQFVPM-UHFFFAOYSA-N
XLogP1.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 43573520
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
N-butyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 35825214
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
CID 22792478
N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
CID 54916380
1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875286
3-[ethyl-[4-(methanesulfonamido)benzoyl]amino]propanoic acid
CID 61008573
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide (CID 61038554) is N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide is CC(C)N(CCCO)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide?
The InChIKey is MOCHSLDEHQFVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11(2)16(9-4-10-17)14(18)12-5-7-13(8-6-12)15-21(3,19)20/h5-8,11,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide?
N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide is sourced from PubChem (CID 61038554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).