N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

C17H20N4O4S2 — CID 43055700

IUPACN-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)cs1
InChIInChI=1S/C17H20N4O4S2/c1-27(24,25)21-17-20-14(10-26-17)8-15(22)18-9-11-3-2-4-13(7-11)19-16(23)12-5-6-12/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyRQOLCOIKXFUVAX-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.72
Rot. Bonds8

About N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 43055700) has the molecular formula C17H20N4O4S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID43055700
Molecular FormulaC17H20N4O4S2
Molecular Weight408.51 g/mol
Exact Mass408.09
IUPAC NameN-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)cs1
InChIInChI=1S/C17H20N4O4S2/c1-27(24,25)21-17-20-14(10-26-17)8-15(22)18-9-11-3-2-4-13(7-11)19-16(23)12-5-6-12/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyRQOLCOIKXFUVAX-UHFFFAOYSA-N
XLogP1.72
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (CID 43055700) is N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is CS(=O)(=O)Nc1nc(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)cs1.
What is the InChIKey of N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is RQOLCOIKXFUVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S2/c1-27(24,25)21-17-20-14(10-26-17)8-15(22)18-9-11-3-2-4-13(7-11)19-16(23)12-5-6-12/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 408.51 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43055700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).