N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide

C16H22N2OS — CID 75483868

IUPACN-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide
SMILESO=C(CNC1CCCSc2ccccc21)NCC1CC1
InChIInChI=1S/C16H22N2OS/c19-16(18-10-12-7-8-12)11-17-14-5-3-9-20-15-6-2-1-4-13(14)15/h1-2,4,6,12,14,17H,3,5,7-11H2,(H,18,19)
InChIKeyUKZSDWYLHCDCDB-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.73
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide

N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide (PubChem CID 75483868) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide
PubChem CID75483868
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide
SMILESO=C(CNC1CCCSc2ccccc21)NCC1CC1
InChIInChI=1S/C16H22N2OS/c19-16(18-10-12-7-8-12)11-17-14-5-3-9-20-15-6-2-1-4-13(14)15/h1-2,4,6,12,14,17H,3,5,7-11H2,(H,18,19)
InChIKeyUKZSDWYLHCDCDB-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
2,2-dimethyl-3-[[(5R)-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]propanamide
CID 99853780
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968
4-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)butan-2-ol
CID 71915910
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103782741
N-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9120308
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60702700
N-methyl-2-[4-[[(5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]piperidin-1-yl]acetamide
CID 97062268

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide (CID 75483868) is N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide is O=C(CNC1CCCSc2ccccc21)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide?
The InChIKey is UKZSDWYLHCDCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-16(18-10-12-7-8-12)11-17-14-5-3-9-20-15-6-2-1-4-13(14)15/h1-2,4,6,12,14,17H,3,5,7-11H2,(H,18,19).
What are the key properties of N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide?
N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide has a molecular weight of 290.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide is sourced from PubChem (CID 75483868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).