N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide

C16H18N4O3S2 — CID 18116342

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESC[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H18N4O3S2/c1-11(16-19-12-5-2-3-6-13(12)20-16)18-14(21)8-9-17-25(22,23)15-7-4-10-24-15/h2-7,10-11,17H,8-9H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyICVXSVKJDPYYGH-NSHDSACASA-N
MW378.48 g/mol
LogP2.17
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 18116342) has the molecular formula C16H18N4O3S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID18116342
Molecular FormulaC16H18N4O3S2
Molecular Weight378.48 g/mol
Exact Mass378.08
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESC[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H18N4O3S2/c1-11(16-19-12-5-2-3-6-13(12)20-16)18-14(21)8-9-17-25(22,23)15-7-4-10-24-15/h2-7,10-11,17H,8-9H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyICVXSVKJDPYYGH-NSHDSACASA-N
XLogP2.17
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 40720173
N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18116431
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 25356175
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55436294
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 18116527
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115283498
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18116434
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184324

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide (CID 18116342) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide is C[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is ICVXSVKJDPYYGH-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N4O3S2/c1-11(16-19-12-5-2-3-6-13(12)20-16)18-14(21)8-9-17-25(22,23)15-7-4-10-24-15/h2-7,10-11,17H,8-9H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 18116342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).